Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)

C₇₂H₄₈CaDy₂N₈O₈ — CID 139170864

About Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)

Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate) (PubChem CID 139170864) has the molecular formula C₇₂H₄₈CaDy₂N₈O₈ and a molecular weight of 1518.30 g/mol. Its IUPAC name is calcium;bis(dysprosium(3+));octakis(quinolin-8-olate).

Molecular Properties

• Compound Name: Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)
• PubChem CID: 139170864
• Molecular Formula: C₇₂H₄₈CaDy₂N₈O₈
• Molecular Weight: 1518.30 g/mol
• Exact Mass: 1520.18
• IUPAC Name: calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)
• SMILES: [Ca+2].[Dy+3].[Dy+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
• InChI: InChI=1S/8C9H7NO.Ca.2Dy/c8*11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h8*1-6,11H;;;/q;;;;;;;;+2;2*+3/p-8
• InChIKey: YOISVMLUSGLQMT-UHFFFAOYSA-F
• XLogP: 10.09
• TPSA: 287.60 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1518.30
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)?

The IUPAC name of Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate) (CID 139170864) is calcium;bis(dysprosium(3+));octakis(quinolin-8-olate).

What is the SMILES notation for Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)?

The canonical SMILES for Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate) is [Ca+2].[Dy+3].[Dy+3].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.

What is the InChIKey of Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)?

The InChIKey is YOISVMLUSGLQMT-UHFFFAOYSA-F. The full InChI is InChI=1S/8C9H7NO.Ca.2Dy/c8*11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h8*1-6,11H;;;/q;;;;;;;;+2;2*+3/p-8.

What are the key properties of Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)?

Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate) has a molecular weight of 1518.30 g/mol, XLogP of 10.09, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate) is sourced from PubChem (CID 139170864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139170864 — identifiers, structure, computed properties (public domain)

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